TERT-부틸4-[4-(하이드록시메틸)페닐]테트라하이드로-1(2H)-피라진카복실레이트

4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzyl alcohol

HCID 2795510

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 158985-37-6
표준 SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(CO)cc2)CC1
InChIKey: PXKYXTXYWJKTSQ-UHFFFAOYSA-N
분자식: C16H24N2O3
평균 분자량: 292.37 g/mol
단동위원소 질량: 292.17869263

이름 및 식별자

우선 이름: 4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzyl alcohol
IUPAC: tert-butyl 4-[4-(hydroxymethyl)phenyl]piperazine-1-carboxylate
현지명: TERT-부틸4-[4-(하이드록시메틸)페닐]테트라하이드로-1(2H)-피라진카복실레이트
영어명: tert-Butyl 4-[4-(hydroxymethyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxylate
분자식: C16H24N2O3
분자량: 292.37

이름 및 동의어

4-[4-(tert-Butoxycarbonyl)piperazin-1-yl]benzyl alcohol4-(4-(tert-Butoxycarbonyl)piperazin-1-yl)benzyl alcoholRefChem:513792641-231-2158985-37-6tert-Butyl 4-(4-(hydroxymethyl)phenyl)piperazine-1-carboxylateTERT-BUTYL 4-[4-(HYDROXYMETHYL)PHENYL]TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATEtert-butyl 4-[4-(hydroxymethyl)phenyl]piperazine-1-carboxylateMFCD064115434-(1-Boc-piperazin-4-yl)phenylmethanol1-Piperazinecarboxylic acid, 4-[4-(hydroxymethyl)phenyl]-, 1,1-dimethylethyl ester1,1-Dimethylethyl 4-[4-(hydroxymethyl)phenyl]-1-piperazinecarboxylate

이름 더 보기

TERT-부틸4-[4-(하이드록시메틸)페닐]테트라하이드로-1(2H)-피라진카복실레이트BUTTPARK 98\06-994-(4-Boc-piperazin-1-yl)benzyl Alcohol1-(4-HYDROXYMETHYL-PHENYL)-PIPERAZINE-4-CARBOXYLIC ACID TERT-BUTYL ESTER

4-(4-N-Boc-piperazinyl)benzyl alcohol[4-(4-tert-Butoxycarbonyl)piperazine]benzyl alcoholtert-butyl4-(4-(hydroxymethyl)phenyl)piperazine-1-carboxylateorb3176940SCHEMBL1136833DTXSID10383730PXKYXTXYWJKTSQ-UHFFFAOYSA-NXH1259

데이터베이스 식별자

CAS: 158985-37-6
PubChem CID: 2795510
DTXSID: DTXSID10383730
EC Number: 641-231-2
Nikkaji: J3.472.943C

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 53 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 21
형식 전하: 0
복잡도: 338

물리화학적 성질

녹는점: 109 °C · 109 °C
끓는 점: 452 · 452.0±45.0 °C(Predicted)
밀도: 1.152 · 1.152±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 결정성 분말
산도 계수 (pKa): 15.05 · 15.05±0.10(Predicted)
색상: 황백색에서 연한 노란색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

안전 데이터

HS 번호: 2933599590
hazard_code: Xi
위험 참고 사항: Harmful/Irritant

화학 및 산업

응용 분야

용도tert-Butyl 4-(4-(Hydroxymethyl)phenyl)piperazine-1-carboxylate is used as a reactant in the preparation of 4-[(4-piperazinobeznoyl)amino]phenyl(oxy)alkanoates as fibrinogen receptor antagonists.